Found 1 result

Search term: 4322662 (Found by CSID)
ChemSpider 2D Image | 4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutanoic acid | C38H54O8

4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutanoic acid

  • Molecular FormulaC38H54O8
  • Average mass638.831 Da
  • Monoisotopic mass638.381897 Da
  • ChemSpider ID4322662

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,5-Methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-1-butanoic acid, 3a,4,5,6,6a,7-hexahydro-8,15-dihydroxy-α,3,3,11-tetramethyl-13-(3-methylbutyl)-11-(4-methylpentyl)-7-oxo- [ACD/Index Name]
4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutanoic acid [ACD/IUPAC Name]
4-[12,18-Dihydroxy-8,21,21-trimethyl-5-(3-methylbutyl)-8-(4-methylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbutansäure [German] [ACD/IUPAC Name]
Acide 4-[12,18-dihydroxy-8,21,21-triméthyl-5-(3-méthylbutyl)-8-(4-méthylpentyl)-14-oxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tétraén-19-yl]-2-méthylbutanoïq ue [French] [ACD/IUPAC Name]
DECAHYDROGAMBOGIC ACID

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DivK1c_006701 [DBID]
KBio1_001645 [DBID]
KBioGR_001349 [DBID]
SDCCGMLS-0066897.P001 [DBID]
SpecPlus_000605 [DBID]
Spectrum4_000975 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 779.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.592
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.72
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 501629.63
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 7767.84
ACD/KOC (pH 7.4): 2901.77
Polar Surface Area: 123 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 515.8±5.0 cm3

Click to predict properties on the Chemicalize site


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